4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid

C20H35NO4 — CID 10132781

IUPAC4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid
SMILESCCCCC[C@@H]1C[C@H]1NC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C20H35NO4/c1-3-4-5-8-15-13-17(15)21-19(24)20(10-6-7-11-20)14-16(18(22)23)9-12-25-2/h15-17H,3-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,16?,17-/m1/s1
InChIKeyBINPFDWVPOZRNS-PWZMFNOBSA-N
MW353.50 g/mol
LogP3.76
Rot. Bonds12

About 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid

4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid (PubChem CID 10132781) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid
PubChem CID10132781
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid
SMILESCCCCC[C@@H]1C[C@H]1NC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C20H35NO4/c1-3-4-5-8-15-13-17(15)21-19(24)20(10-6-7-11-20)14-16(18(22)23)9-12-25-2/h15-17H,3-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,16?,17-/m1/s1
InChIKeyBINPFDWVPOZRNS-PWZMFNOBSA-N
XLogP3.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid?
The IUPAC name of 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid (CID 10132781) is 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid is CCCCC[C@@H]1C[C@H]1NC(=O)C1(CC(CCOC)C(=O)O)CCCC1.
What is the InChIKey of 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid?
The InChIKey is BINPFDWVPOZRNS-PWZMFNOBSA-N. The full InChI is InChI=1S/C20H35NO4/c1-3-4-5-8-15-13-17(15)21-19(24)20(10-6-7-11-20)14-16(18(22)23)9-12-25-2/h15-17H,3-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,16?,17-/m1/s1.
What are the key properties of 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid?
4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid has a molecular weight of 353.50 g/mol, XLogP of 3.76, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[1-[[(1R,2R)-2-pentylcyclopropyl]carbamoyl]cyclopentyl]methyl]butanoic acid is sourced from PubChem (CID 10132781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).